(1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol

C11H18N2OS — CID 83129720

IUPAC(1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(SCCN(C)C)cn1
InChIInChI=1S/C11H18N2OS/c1-9(14)11-5-4-10(8-12-11)15-7-6-13(2)3/h4-5,8-9,14H,6-7H2,1-3H3/t9-/m0/s1
InChIKeyIABHQTTUHWMONR-VIFPVBQESA-N
MW226.34 g/mol
LogP1.79
Rot. Bonds5

About (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol

(1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol (PubChem CID 83129720) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
PubChem CID83129720
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(SCCN(C)C)cn1
InChIInChI=1S/C11H18N2OS/c1-9(14)11-5-4-10(8-12-11)15-7-6-13(2)3/h4-5,8-9,14H,6-7H2,1-3H3/t9-/m0/s1
InChIKeyIABHQTTUHWMONR-VIFPVBQESA-N
XLogP1.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
CID 83128205
(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
CID 83128388
N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
CID 83124242
1-(5-pentylsulfanyl-2-pyridinyl)ethanol
CID 107761989
(1S)-1-[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]ethanol
CID 83129531
(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol
CID 83129606
3-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107772342
2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol
CID 83124142
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
CID 83132568
4-[2-(dimethylamino)ethylsulfanyl]phenol
CID 15222062
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
(1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol
CID 83129114

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol (CID 83129720) is (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol is C[C@H](O)c1ccc(SCCN(C)C)cn1.
What is the InChIKey of (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol?
The InChIKey is IABHQTTUHWMONR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(14)11-5-4-10(8-12-11)15-7-6-13(2)3/h4-5,8-9,14H,6-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol?
(1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 83129720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).